0  B7R0.1  C#CCCCCCO LS40112 [1,0,0,0,0,0|1,0,2]=4
1  B7R0.1  C(CCCF)CCF LS40667 [1,0,0,0,0,0|2,0,1]=4
2  B7R0.1  C(CCCF)CCO LS40659 [1,0,0,0,0,0|2,0,1]=4
3  B7R0.1  C(CCCO)CCN LS40173 [1,0,0,0,0,0|2,0,1]=4
4  B7R0.1  C(CCCS)CCO LS40174 [1,0,0,0,0,0|2,0,1]=4
5  B7R0.1  C=CCCCCCCl LS40295 [1,0,0,0,0,0|1,0,0]=2
6  B7R0.4  B(CCCCC)(O)O LS11156 [1,0,0,0,0,0|2,0,0]=3
7  B7R0.4  CCCCCC(=O)Cl LS40461 [1,0,0,0,0,0|1,0,2]=4
8  B9R0.46  CCOCCOC(=O)C=C LS41687 [0,1,0,0,0,0|1,0,2]=4
9  B9R1.1  CCN1CCC(CC1)O LS20906 [0,0,0,1,0,0|1,0,2]=4
10  B6R0.6  C(CCF)CCF LS40666 [2,0,0,0,0,0|2,0,0]=4
11  B6R0.6  C(CCO)CCF LS40658 [2,0,0,0,0,0|1,0,0]=3
12  B6R0.6  C=CCCCCO LS40909 [2,0,0,0,0,0|1,0,0]=3
13  B6R0.6  COCCCCCl LS00136 [2,0,0,0,0,0|2,0,0]=4
14  B6R0.4  B(CCCC)(O)O LS11153 [2,0,0,0,0,0|2,0,0]=4
15  B8R0.4  C(CCCF)CCCF LS40668 [1,1,0,0,0,0|1,0,1]=4
16  B8R0.4  C(CCCO)CCCF LS40660 [1,1,0,0,0,0|1,0,1]=4
17  B8R0.4  C(CCCO)CCCO LS40221 [1,1,0,0,0,0|1,0,1]=4
18  B8R0.7  B(CCCCCC)(O)O LS11158 [1,1,0,0,0,0|2,0,0]=4
19  B8R0.28  CC(C)CCCC(C)N LS41468 [1,1,0,0,0,0|1,0,1]=4
20  B8R1.2  C1CCC(CC1)C=O LS40273 [1,0,0,1,0,0|1,0,0]=3
21  B8R1.2  C1CCC(CC1)CN LS40038 [1,0,0,1,0,0|1,0,1]=4
22  B8R1.2  C1CCN(CC1)C=O LS20491 [1,0,0,1,0,0|2,0,0]=4
23  B8R1.49  C1\C=C/CC\C=C/C1 LS41132 [1,0,0,1,0,0|0,0,2]=4
24  B8R1.52  CCC1(CCCC1)O LS41625 [1,0,0,1,0,0|0,0,2]=4
25  B8R1.4  C1CC(CC(C1)O)N LS40220 [1,0,0,1,0,0|1,0,1]=4
26  B8R1.7  B(C1CCCC1)(O)O LS11157 [1,0,0,1,0,0|2,0,0]=4
27  B8R1.72  C1CNCCC1(O)O LS20793 [1,0,0,1,0,0|2,0,0]=4
28  B8R1.72  CC1(CCNCC1)O LS20682 [1,0,0,1,0,0|1,0,1]=4
29  B8R1.72  CC1(CCNCC1)O LS20905 [1,0,0,1,0,0|1,0,1]=4
30  B10R1.363  C1CCC(CC1)(C(=O)O)N LS41424 [0,1,0,1,0,0|2,0,0]=4